3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile

C19H11N3 — CID 10016570

IUPAC3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C19H11N3/c20-12-14-7-9-16(10-8-14)18-5-2-6-19(22-18)17-4-1-3-15(11-17)13-21/h1-11H
InChIKeyLTAHZRPRYXQNOI-UHFFFAOYSA-N
MW281.32 g/mol
LogP4.16
Rot. Bonds2

About 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile

3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile (PubChem CID 10016570) has the molecular formula C19H11N3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
PubChem CID10016570
Molecular FormulaC19H11N3
Molecular Weight281.32 g/mol
Exact Mass281.10
IUPAC Name3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C19H11N3/c20-12-14-7-9-16(10-8-14)18-5-2-6-19(22-18)17-4-1-3-15(11-17)13-21/h1-11H
InChIKeyLTAHZRPRYXQNOI-UHFFFAOYSA-N
XLogP4.16
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 154614201
4-[3-(2-chloro-6-phenylpyrimidin-4-yl)phenyl]benzonitrile
CID 130452678
azulene-6-carbonitrile
CID 91533837
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544351
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
3-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 63990563
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile (CID 10016570) is 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2cccc(-c3cccc(C#N)c3)n2)cc1.
What is the InChIKey of 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile?
The InChIKey is LTAHZRPRYXQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3/c20-12-14-7-9-16(10-8-14)18-5-2-6-19(22-18)17-4-1-3-15(11-17)13-21/h1-11H.
What are the key properties of 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile?
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile has a molecular weight of 281.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 10016570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).